5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole

C8H11F3N4 — CID 154765086

IUPAC5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole
SMILESFC(F)(F)C1CCCN1Cc1ncn[nH]1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)6-2-1-3-15(6)4-7-12-5-13-14-7/h5-6H,1-4H2,(H,12,13,14)
InChIKeyOSYXSJKBRMPSCN-UHFFFAOYSA-N
MW220.20 g/mol
LogP1.33
Rot. Bonds2

About 5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole

5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole (PubChem CID 154765086) has the molecular formula C8H11F3N4 and a molecular weight of 220.20 g/mol. Its IUPAC name is 5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole.

Molecular Properties

Compound Name5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole
PubChem CID154765086
Molecular FormulaC8H11F3N4
Molecular Weight220.20 g/mol
Exact Mass220.09
IUPAC Name5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole
SMILESFC(F)(F)C1CCCN1Cc1ncn[nH]1
InChIInChI=1S/C8H11F3N4/c9-8(10,11)6-2-1-3-15(6)4-7-12-5-13-14-7/h5-6H,1-4H2,(H,12,13,14)
InChIKeyOSYXSJKBRMPSCN-UHFFFAOYSA-N
XLogP1.33
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.20
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(pyrrolidin-2-yl)-4H-1,2,4-triazole dihydrochloride
CID 121553600
5-[(2S)-pyrrolidin-2-yl]-1H-1,2,4-triazole dihydrochloride
CID 134690993
1-ethyl-5-{[2-(3-methyl-1H-1,2,4-triazol-5-yl)pyrrolidin-1-yl]methyl}-1H-1,2,4-triazole
CID 77090173
3-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1H-1,2,4-triazole;hydrochloride
CID 126623742
3-[(2S,4R)-4-fluoropyrrolidin-2-yl]-5-(4,4,4-trifluorobutyl)-1H-1,2,4-triazole
CID 126623743
5-[(2S,4R)-4-fluoropyrrolidin-2-yl]-3-(4,4,4-trifluorobutyl)-1H-1,2,4-triazole;hydrochloride
CID 140882363
(2,2-difluorocyclopropyl)-(1H-1,2,4-triazol-5-yl)methanamine
CID 176188759
1,2,4-Triazol-yl-azabicyclo[3.1.0]hexane
CID 132281386
N-(1H-1,2,4-triazol-5-ylmethyl)-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 54884743
N-[2-(1H-1,2,4-triazol-5-yl)ethyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64545803
N-[3-(1H-1,2,4-triazol-5-yl)propyl]-1-(2,2,2-trifluoroethyl)piperidin-4-amine
CID 64546920
4,4,4-trifluoro-N-propyl-1-(1H-1,2,4-triazol-5-yl)butan-1-amine
CID 65360090

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole?
The IUPAC name of 5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole (CID 154765086) is 5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole.
What is the SMILES notation for 5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole?
The canonical SMILES for 5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole is FC(F)(F)C1CCCN1Cc1ncn[nH]1.
What is the InChIKey of 5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole?
The InChIKey is OSYXSJKBRMPSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11F3N4/c9-8(10,11)6-2-1-3-15(6)4-7-12-5-13-14-7/h5-6H,1-4H2,(H,12,13,14).
What are the key properties of 5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole?
5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole has a molecular weight of 220.20 g/mol, XLogP of 1.33, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethyl)pyrrolidin-1-yl]methyl]-1H-1,2,4-triazole is sourced from PubChem (CID 154765086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).